4-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]-1-hydroxyethyl]phenol

C19H20N4O2 — CID 56874558

IUPAC4-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]-1-hydroxyethyl]phenol
SMILESCc1ccc(-c2ccnc(NCC(O)c3ccc(O)cc3)n2)c(C)n1
InChIInChI=1S/C19H20N4O2/c1-12-3-8-16(13(2)22-12)17-9-10-20-19(23-17)21-11-18(25)14-4-6-15(24)7-5-14/h3-10,18,24-25H,11H2,1-2H3,(H,20,21,23)
InChIKeyZDUOUADFXZQFPJ-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.01
Rot. Bonds5

About 4-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]-1-hydroxyethyl]phenol

4-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]-1-hydroxyethyl]phenol (PubChem CID 56874558) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name4-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]-1-hydroxyethyl]phenol
PubChem CID56874558
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]-1-hydroxyethyl]phenol
SMILESCc1ccc(-c2ccnc(NCC(O)c3ccc(O)cc3)n2)c(C)n1
InChIInChI=1S/C19H20N4O2/c1-12-3-8-16(13(2)22-12)17-9-10-20-19(23-17)21-11-18(25)14-4-6-15(24)7-5-14/h3-10,18,24-25H,11H2,1-2H3,(H,20,21,23)
InChIKeyZDUOUADFXZQFPJ-UHFFFAOYSA-N
XLogP3.01
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]-1-hydroxyethyl]phenol?
The IUPAC name of 4-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]-1-hydroxyethyl]phenol (CID 56874558) is 4-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]-1-hydroxyethyl]phenol.
What is the SMILES notation for 4-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]-1-hydroxyethyl]phenol?
The canonical SMILES for 4-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]-1-hydroxyethyl]phenol is Cc1ccc(-c2ccnc(NCC(O)c3ccc(O)cc3)n2)c(C)n1.
What is the InChIKey of 4-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]-1-hydroxyethyl]phenol?
The InChIKey is ZDUOUADFXZQFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-3-8-16(13(2)22-12)17-9-10-20-19(23-17)21-11-18(25)14-4-6-15(24)7-5-14/h3-10,18,24-25H,11H2,1-2H3,(H,20,21,23).
What are the key properties of 4-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]-1-hydroxyethyl]phenol?
4-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]-1-hydroxyethyl]phenol has a molecular weight of 336.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]-1-hydroxyethyl]phenol is sourced from PubChem (CID 56874558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).